#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end
%scf guess moread
moinp "guesspsminG19_IRC_292.gbw" end

* xyz 1 1
  Au         -0.15806817896134     -2.83762875351271      0.17406212392528
  C           1.16132226523701     -0.33312370630169      1.19433590241022
  C           0.06216564256204     -1.09912315421907      1.25414109461071
  C           0.17831124107103      1.50676384105435      1.88891055137145
  C           1.34382696818320      0.76665322366654      2.27838708290405
  H           1.24450951100347      0.31782788942296      3.26772623341716
  C          -0.98418798836462     -0.65124780286960      2.25016001450322
  H          -0.69111846030215     -1.05277427156213      3.22955055568481
  H          -1.96685519865094     -1.06747099194627      2.03189907121614
  C          -1.10588178549911      0.88580170316462      2.27523264197778
  P          -0.41037420163583     -4.78616151713319     -1.03805371454459
  C          -0.95812969291820     -4.51770444455519     -2.74360081011024
  C           1.11030704620245     -5.75856572225577     -1.18990846974606
  H           1.93724767040984     -0.37805953605765      0.44000893542103
  C          -1.62408902913288     -5.93375775656064     -0.33769419568978
  H          -2.59974484462262     -5.44639429959932     -0.28942429097122
  H          -1.69560648568254     -6.83127287002334     -0.95655722019321
  H          -1.31999189813592     -6.21218600182257      0.67310797121982
  H          -1.92097251531566     -4.00328818247187     -2.73982620099771
  H          -1.05822563132739     -5.47390768274364     -3.26256957315769
  H          -0.22928314862911     -3.89511533507438     -3.26598917951068
  H           1.87749698701327     -5.15886640876320     -1.68337172621199
  H           0.92288192005015     -6.66240654082879     -1.77433396118220
  H           1.46636277909171     -6.03529099597976     -0.19572086532964
  H           2.29334906555740      1.28055669219147      2.17560600820212
  H          -1.91888692914079      1.21374163903337      1.63051339751743
  H          -1.32506827357877      1.23720309460669      3.29475842974170
  C           0.24832887078099      2.72775565936775      1.08359266636104
  C          -0.86500452285851      3.56397000574899      0.99968658877527
  C           1.42524099602928      3.08508639029819      0.42280644350615
  C          -0.79907130270684      4.75813002981556      0.28913711998170
  H          -1.79101565589845      3.31775071161252      1.50178076548382
  C           1.48160631003585      4.24548047459503     -0.33848875705017
  H           2.30614331603212      2.45917917582539      0.46588698119508
  C           0.37070518154274      5.08114843246295     -0.38663152984595
  N           0.43441483666885      6.32830396077946     -1.17220233693230
  O           0.89478027810911      6.24691079879864     -2.28973886723020
  O           0.02060813771958      7.33351134668812     -0.63788417365703
  C          -1.97085353257551      5.59478160025342      0.24372143375599
  N          -2.93589080198902      6.21556541616975      0.22695770704113
  C           2.71345858818570      4.56303048804398     -1.01450284794667
  N           3.72173346644041      4.77674440068095     -1.51915499991575
*

